{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.334841 0.085147 0 ] [ 0.585147 0.165159 0.5 ] [ 0.414853 0.834841 0.5 ] [ 0.665159 0.914853 0 ] [ 0.165159 0.585147 0.5 ] [ 0.834841 0.414853 0.5 ] [ 0.085147 0.334841 0 ] [ 0.914853 0.665159 0 ] [ 0.780459 0.219541 0 ] [ 0.719541 0.719541 0.5 ] [ 0.280459 0.280459 0.5 ] [ 0.219541 0.780459 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.92840384 "source-unit" "angstrom" } "c" { "source-value" 3.58317697 "source-unit" "angstrom" } }